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harmonic approximation

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2 results in Keywords: harmonic approximation

Physical Chemistry

Shermo: A General Code for Calculating Molecular Thermochemistry Properties

Tian Lu, qinxue chen

Version 1 posted 18 May 2020

2,713

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5

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Theoretical and Computational Chemistry

Accurate and Affordable Simulation of Molecular Infrared Spectra with AIQM Models

Yi-Fan Hou, Cheng Wang, Pavlo O. Dral

Version 1 posted 08 November 2024

102

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